| 8MS | Name: | (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol | Formula: | C19 H36 N4 O4 | SMILES: | CCCCCCOCCOCCOCCN[CH](O)c1ccc(NNN)cc1 | InChi: | InChI=1S/C19H36N4O4/c1-2-3-4-5-11-25-13-15-27-16-14-26-12-10-21-19(24)17-6-8-18(9-7-17)22-23-20/h6-9,19,21-24H,2-5,10-16,20H2,1H3/t19-/m1/s1 | Definition date: | 2021-12-21 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (~{R})-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol |
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| 98R | Name: | [(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate | Formula: | C39 H72 O5 | SMILES: | CCCCCCCC=CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC=CCCCCCCC | InChi: | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15?,18-16+/t37-/m0/s1 | Definition date: | 2022-01-11 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | [(2~{S})-2-[(~{E})-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate |
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| 6WI | Name: | 3-(guanosine-5'-diphospho)-D-glycerate | Formula: | C13 H19 N5 O14 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)C(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C13H19N5O14P2/c14-13-16-9-6(10(22)17-13)15-3-18(9)11-8(21)7(20)5(31-11)2-30-34(27,28)32-33(25,26)29-1-4(19)12(23)24/h3-5,7-8,11,19-21H,1-2H2,(H,23,24)(H,25,26)(H,27,28)(H3,14,16,17,22)/t4-,5-,7-,8-,11-/m1/s1 | Synonyms: | 3GPPG | Definition date: | 2021-08-04 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propanoic acid |
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| 08G | Name: | 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea | Formula: | C16 H17 N5 O2 | SMILES: | C[CH](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c3ccccc3 | InChi: | InChI=1S/C16H17N5O2/c1-10(11-5-3-2-4-6-11)18-16(23)20-15-7-13-12(8-17-21-13)14(9-22)19-15/h2-8,10,22H,9H2,1H3,(H,17,21)(H2,18,19,20,23)/t10-/m0/s1 | Definition date: | 2021-06-01 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 1-[4-(hydroxymethyl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1~{S})-1-phenylethyl]urea |
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| 5II | Name: | methyl 2-deoxy-2-methyl-alpha-D-mannopyranoside | Formula: | C8 H16 O5 | SMILES: | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C | InChi: | InChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1 | Definition date: | 2021-08-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-methyl-oxane-3,4-diol |
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| H5C | Name: | 9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione | Formula: | C11 H14 N4 O6 | SMILES: | CO[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3C(=O)NC(=O)Nc23 | InChi: | InChI=1S/C11H14N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-3-12-5-8(15)13-11(19)14-9(5)18/h3-4,6-7,10,16-17H,2H2,1H3,(H2,13,14,18,19)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-11-12 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 9-[(2~{R},3~{R},4~{R})-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3~{H}-purine-2,6-dione |
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| H5F | Name: | 6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one | Formula: | C10 H13 N5 O5 | SMILES: | NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=O)N1 | InChi: | InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2020-11-12 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-purin-2-one |
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| H93 | Name: | 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one | Formula: | C11 H15 N5 O5 | SMILES: | CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO)[CH](O)[CH]3O)N | InChi: | InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-11-30 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one |
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| HD3 | Name: | 2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one | Formula: | C11 H14 N4 O5 | SMILES: | NC1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O | InChi: | InChI=1S/C11H14N4O5/c12-11-13-8-4(9(19)14-11)1-2-15(8)10-7(18)6(17)5(3-16)20-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,19)/t5-,6-,7-,10-/m1/s1 | Definition date: | 2020-12-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 2-azanyl-7-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3~{H}-pyrrolo[2,3-d]pyrimidin-4-one |
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| HD9 | Name: | (2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | Formula: | C11 H15 N5 O5 | SMILES: | COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O | InChi: | InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-12-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
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| HOR | Name: | 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile | Formula: | C21 H22 Cl N3 O | SMILES: | N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2Oc4ccc(cc4Cl)C#N | InChi: | InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1 | Synonyms: | SAR7334 | Definition date: | 2021-01-25 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 4-[[(1~{R},2~{R})-2-[(3~{R})-3-azanylpiperidin-1-yl]-2,3-dihydro-1~{H}-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile |
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| HR3 | Name: | 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid | Formula: | C15 H14 N2 O5 | SMILES: | COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1 | InChi: | InChI=1S/C15H14N2O5/c1-22-10-4-2-9(3-5-10)7-16-13-8-17-12(15(20)21)6-11(13)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(4-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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| HR9 | Name: | 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid | Formula: | C17 H18 N2 O4 | SMILES: | OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1 | InChi: | InChI=1S/C17H18N2O4/c20-16(21)13-10-14(17(22)23)19-11-15(13)18-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,20,21)(H,22,23) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid |
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| HRF | Name: | 5-(benzylamino)pyridine-2,4-dicarboxylic acid | Formula: | C14 H12 N2 O4 | SMILES: | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1 | InChi: | InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(phenylmethyl)amino]pyridine-2,4-dicarboxylic acid |
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| HRL | Name: | 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid | Formula: | C15 H14 N2 O5 | SMILES: | COc1ccccc1CNc2cnc(cc2C(O)=O)C(O)=O | InChi: | InChI=1S/C15H14N2O5/c1-22-13-5-3-2-4-9(13)7-16-12-8-17-11(15(20)21)6-10(12)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(2-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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| HRR | Name: | 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid | Formula: | C17 H16 N2 O4 | SMILES: | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1 | InChi: | InChI=1S/C17H16N2O4/c20-16(21)13-7-14(17(22)23)19-9-15(13)18-8-11-3-1-2-4-12(11)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,20,21)(H,22,23) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(2-cyclopropylphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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| DWZ | Name: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid | Formula: | C17 H27 N3 O5 S | SMILES: | CN(C)C(=O)C1CC(SC2C(C)C(N=C2C(=O)O)C(C=O)C(C)O)CN1 | InChi: | InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-,15+/m1/s1 | Synonyms: | Meropenem, bound form | Definition date: | 2008-07-25 | Last modified: | 2022-01-27 | Identifier: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
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| XUM | Name: | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C33 H47 N2 O13 P S | SMILES: | C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)C)S(c4cc5c(cc4)OCO5)(=O)=O)O | InChi: | InChI=1S/C33H47N2O13PS/c1-5-46-49(38,47-6-2)21-45-24-9-7-23(8-10-24)15-27(34-33(37)48-31-19-42-32-26(31)13-14-41-32)28(36)18-35(17-22(3)4)50(39,40)25-11-12-29-30(16-25)44-20-43-29/h7-12,16,22,26-28,31-32,36H,5-6,13-15,17-21H2,1-4H3,(H,34,37)/t26-,27-,28+,31-,32+/m0/s1 | Definition date: | 2021-01-14 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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| XUP | Name: | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C33 H46 N3 O11 P S2 | SMILES: | C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)C)S(c4cc5c(cc4)ncs5)(=O)=O)O | InChi: | InChI=1S/C33H46N3O11PS2/c1-5-45-48(39,46-6-2)21-44-24-9-7-23(8-10-24)15-28(35-33(38)47-30-19-43-32-26(30)13-14-42-32)29(37)18-36(17-22(3)4)50(40,41)25-11-12-27-31(16-25)49-20-34-27/h7-12,16,20,22,26,28-30,32,37H,5-6,13-15,17-19,21H2,1-4H3,(H,35,38)/t26-,28-,29+,30-,32+/m0/s1 | Definition date: | 2021-01-14 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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| XUS | Name: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C33 H50 N3 O11 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)N)(=O)=O)O | InChi: | InChI=1S/C33H50N3O11PS/c1-5-23(4)19-36(49(40,41)27-14-10-25(34)11-15-27)20-30(37)29(35-33(38)47-31-21-43-32-28(31)16-17-42-32)18-24-8-12-26(13-9-24)44-22-48(39,45-6-2)46-7-3/h8-15,23,28-32,37H,5-7,16-22,34H2,1-4H3,(H,35,38)/t23-,28-,29-,30+,31-,32+/m0/s1 | Definition date: | 2021-01-14 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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| XUV | Name: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate | Formula: | C34 H51 N2 O12 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)OC)(=O)=O)O | InChi: | InChI=1S/C34H51N2O12PS/c1-6-24(4)20-36(50(40,41)28-15-13-26(42-5)14-16-28)21-31(37)30(35-34(38)48-32-22-44-33-29(32)17-18-43-33)19-25-9-11-27(12-10-25)45-23-49(39,46-7-2)47-8-3/h9-16,24,29-33,37H,6-8,17-23H2,1-5H3,(H,35,38)/t24-,29-,30-,31+,32-,33+/m0/s1 | Definition date: | 2021-01-14 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate |
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| XVJ | Name: | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C34 H48 N3 O11 P S2 | SMILES: | C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O | InChi: | InChI=1S/C34H48N3O11PS2/c1-5-23(4)18-37(51(41,42)26-12-13-28-32(17-26)50-21-35-28)19-30(38)29(36-34(39)48-31-20-44-33-27(31)14-15-43-33)16-24-8-10-25(11-9-24)45-22-49(40,46-6-2)47-7-3/h8-13,17,21,23,27,29-31,33,38H,5-7,14-16,18-20,22H2,1-4H3,(H,36,39)/t23-,27-,29-,30+,31-,33+/m0/s1 | Definition date: | 2021-01-15 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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| XVM | Name: | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C34 H49 N2 O13 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O | InChi: | InChI=1S/C34H49N2O13PS/c1-5-23(4)18-36(51(40,41)26-12-13-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)49-32-20-43-33-27(32)14-15-42-33)16-24-8-10-25(11-9-24)46-22-50(39,47-6-2)48-7-3/h8-13,17,23,27-29,32-33,37H,5-7,14-16,18-22H2,1-4H3,(H,35,38)/t23-,27-,28-,29+,32-,33+/m0/s1 | Definition date: | 2021-01-15 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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| XVP | Name: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | Formula: | C34 H51 N2 O12 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)CO)(=O)=O)O | InChi: | InChI=1S/C34H51N2O12PS/c1-5-24(4)19-36(50(41,42)28-14-10-26(21-37)11-15-28)20-31(38)30(35-34(39)48-32-22-44-33-29(32)16-17-43-33)18-25-8-12-27(13-9-25)45-23-49(40,46-6-2)47-7-3/h8-15,24,29-33,37-38H,5-7,16-23H2,1-4H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1 | Definition date: | 2021-01-15 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate |
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| XVS | Name: | diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C35 H53 N2 O12 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4ccc(cc4)OC)(=O)=O)O | InChi: | InChI=1S/C35H53N2O12PS/c1-6-25(7-2)21-37(51(41,42)29-16-14-27(43-5)15-17-29)22-32(38)31(36-35(39)49-33-23-45-34-30(33)18-19-44-34)20-26-10-12-28(13-11-26)46-24-50(40,47-8-3)48-9-4/h10-17,25,30-34,38H,6-9,18-24H2,1-5H3,(H,36,39)/t30-,31-,32+,33-,34+/m0/s1 | Definition date: | 2021-01-15 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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